2-{[(2H-1,3-benzodioxol-5-yl)(hydroxy)methylidene]amino}acetic acid (CHEBI:189769)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-{[(2H-1,3-benzodioxol-5-yl)(hydroxy)methylidene]amino}acetic acid

ChEBI ID	CHEBI:189769

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H9NO5

Net Charge

Average Mass

223.184

Monoisotopic Mass

223.04807

InChI

InChI=1S/C10H9NO5/c12-9(13)4-11-10(14)6-1-2-7-8(3-6)16-5-15-7/h1-3H,4-5H2,(H,11,14)(H,12,13)

InChIKey

FWHKWFNOFSQUIU-UHFFFAOYSA-N

SMILES

O1C2=C(OC1)C=CC(=C2)C(=O)NCC(O)=O

Metabolite of Species	Details
Sarcophaga peregrina (NCBI:txid7386)	Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	2-{[(2H-1,3-benzodioxol-5-yl)(hydroxy)methylidene]amino}acetic acid (CHEBI:189769) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name

2-(1,3-benzodioxole-5-carbonylamino)acetic acid

Registry Number	Type	Source
27855-25-0	CAS Registry Number	ChemIDplus